Tomas Öberg Konsult AB

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Prediction of physical properties for PCB congeners from molecular descriptors
Öberg, T.
Internet Journal of Chemistry 4, 7 (2001).

Abstract
A methodology is described to model quantitative structure-property relationships that can accept significant contamination with "bad data". This approach is used to model and predict the vapor pressures, the water solubilities, the octanol-water partitioning coefficients and the Henry's laws coefficients for all 209 congeners of polychlorinated biphenyls (PCB). The model predictions seem to provide a reliable summary and extension of the currently available database on these compounds.

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